1,2,3-trihydroxybenzene-d6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 1,2,3-trihydroxybenzene-d6
• 英文别名: Pyrogallol-d6；1,2,3-trideuterio-4,5,6-trideuteriooxybenzene
• 化学式: C₆H₆O₃
• 分子量: 132.064
• InChiKey: WQGWDDDVZFFDIG-QMJYEYNKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  乙缩醛 、 1,2,3-trihydroxybenzene-d6 在 diclazuril 作用下， 以 乙醇-D1 为溶剂， 生成
  参考文献：
  名称：

  Molecular Conformation and Magnetic Behavior of Macrocyclic Columnar Liquid Crystals

  摘要：

  We report the results of deuterium NMR experiments performed on macrocyclic columnar mesogens. The columnar hexagonal mesophase, aligned in a static magnetic field, exhibits an unusual positive anisotropy of the diamagnetic tenser so that the column axes tend to orient themselves parallel to the direction of the applied field. A different kind of alignment can be detected when, by rotating the sample, the average columnar axes direction is made perpendicular to the field: the molecular cores tend to orient their long axis perpendicular to the field direction. This is the first case, to our knowledge, where a field-induced transversal alignment is observed in columnar mesophases. This peculiar alignment allowed the assignment of the flattened cone conformation to the macrocyclic core in the mesophase.

  DOI：

  10.1021/j100087a031

文献信息

• Molecular Conformation and Magnetic Behavior of Macrocyclic Columnar Liquid Crystals
  作者：Mauro Ricco、Enrico Dalcanale

  DOI：10.1021/j100087a031

  日期：1994.9

  We report the results of deuterium NMR experiments performed on macrocyclic columnar mesogens. The columnar hexagonal mesophase, aligned in a static magnetic field, exhibits an unusual positive anisotropy of the diamagnetic tenser so that the column axes tend to orient themselves parallel to the direction of the applied field. A different kind of alignment can be detected when, by rotating the sample, the average columnar axes direction is made perpendicular to the field: the molecular cores tend to orient their long axis perpendicular to the field direction. This is the first case, to our knowledge, where a field-induced transversal alignment is observed in columnar mesophases. This peculiar alignment allowed the assignment of the flattened cone conformation to the macrocyclic core in the mesophase.